5-methoxy-N-[5-[[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide

C22H25N7O4 — CID 154654243

IUPAC5-methoxy-N-[5-[[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide
SMILESCOc1cncc(C(=O)Nc2cn[nH]c2C(=O)Nc2ccc(OCCN3CCCC3)nc2)c1
InChIInChI=1S/C22H25N7O4/c1-32-17-10-15(11-23-13-17)21(30)27-18-14-25-28-20(18)22(31)26-16-4-5-19(24-12-16)33-9-8-29-6-2-3-7-29/h4-5,10-14H,2-3,6-9H2,1H3,(H,25,28)(H,26,31)(H,27,30)
InChIKeyUHAWIVOWZMTGRI-UHFFFAOYSA-N
MW451.49 g/mol
LogP2.19
Rot. Bonds9

About 5-methoxy-N-[5-[[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide

5-methoxy-N-[5-[[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide (PubChem CID 154654243) has the molecular formula C22H25N7O4 and a molecular weight of 451.49 g/mol. Its IUPAC name is 5-methoxy-N-[5-[[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-methoxy-N-[5-[[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide
PubChem CID154654243
Molecular FormulaC22H25N7O4
Molecular Weight451.49 g/mol
Exact Mass451.20
IUPAC Name5-methoxy-N-[5-[[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide
SMILESCOc1cncc(C(=O)Nc2cn[nH]c2C(=O)Nc2ccc(OCCN3CCCC3)nc2)c1
InChIInChI=1S/C22H25N7O4/c1-32-17-10-15(11-23-13-17)21(30)27-18-14-25-28-20(18)22(31)26-16-4-5-19(24-12-16)33-9-8-29-6-2-3-7-29/h4-5,10-14H,2-3,6-9H2,1H3,(H,25,28)(H,26,31)(H,27,30)
InChIKeyUHAWIVOWZMTGRI-UHFFFAOYSA-N
XLogP2.19
TPSA134.36 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.49
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-[5-[[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide?
The IUPAC name of 5-methoxy-N-[5-[[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide (CID 154654243) is 5-methoxy-N-[5-[[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for 5-methoxy-N-[5-[[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide?
The canonical SMILES for 5-methoxy-N-[5-[[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide is COc1cncc(C(=O)Nc2cn[nH]c2C(=O)Nc2ccc(OCCN3CCCC3)nc2)c1.
What is the InChIKey of 5-methoxy-N-[5-[[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide?
The InChIKey is UHAWIVOWZMTGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O4/c1-32-17-10-15(11-23-13-17)21(30)27-18-14-25-28-20(18)22(31)26-16-4-5-19(24-12-16)33-9-8-29-6-2-3-7-29/h4-5,10-14H,2-3,6-9H2,1H3,(H,25,28)(H,26,31)(H,27,30).
What are the key properties of 5-methoxy-N-[5-[[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide?
5-methoxy-N-[5-[[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide has a molecular weight of 451.49 g/mol, XLogP of 2.19, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-[5-[[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 154654243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).